2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid

C10H21NO4S — CID 65266216

IUPAC2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid
SMILESCCCS(=O)(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-6-7-16(14,15)11-10(4,5)9(2,3)8(12)13/h11H,6-7H2,1-5H3,(H,12,13)
InChIKeySODIATZCIBEDGH-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.21
Rot. Bonds6

About 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid

2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid (PubChem CID 65266216) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid
PubChem CID65266216
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid
SMILESCCCS(=O)(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-6-7-16(14,15)11-10(4,5)9(2,3)8(12)13/h11H,6-7H2,1-5H3,(H,12,13)
InChIKeySODIATZCIBEDGH-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid (CID 65266216) is 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid is CCCS(=O)(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid?
The InChIKey is SODIATZCIBEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-6-7-16(14,15)11-10(4,5)9(2,3)8(12)13/h11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid?
2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(propylsulfonylamino)butanoic acid is sourced from PubChem (CID 65266216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).